benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid

C42H38Cl2F6N8O9S2 — CID 160694023

IUPACbenzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1.O=C(NS(=O)(=O)c1ccccc1)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl.O=C(O)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl
InChIInChI=1S/C21H18ClF3N4O4S.C15H13ClF3N3O3.C6H7NO2S/c22-16-12-17(26-13-15(16)19(30)28-34(31,32)14-4-2-1-3-5-14)29-10-6-18(27-29)33-11-9-20(7-8-20)21(23,24)25;16-10-7-11(20-8-9(10)13(23)24)22-5-1-12(21-22)25-6-4-14(2-3-14)15(17,18)19;7-10(8,9)6-4-2-1-3-5-6/h1-6,10,12-13H,7-9,11H2,(H,28,30);1,5,7-8H,2-4,6H2,(H,23,24);1-5H,(H2,7,8,9)
InChIKeyRPTTUXVOKSTYEO-UHFFFAOYSA-N
MW1047.84 g/mol
LogP8.22
Rot. Bonds15

About benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid

benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 160694023) has the molecular formula C42H38Cl2F6N8O9S2 and a molecular weight of 1047.84 g/mol. Its IUPAC name is benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namebenzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID160694023
Molecular FormulaC42H38Cl2F6N8O9S2
Molecular Weight1047.84 g/mol
Exact Mass1046.15
IUPAC Namebenzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1.O=C(NS(=O)(=O)c1ccccc1)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl.O=C(O)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl
InChIInChI=1S/C21H18ClF3N4O4S.C15H13ClF3N3O3.C6H7NO2S/c22-16-12-17(26-13-15(16)19(30)28-34(31,32)14-4-2-1-3-5-14)29-10-6-18(27-29)33-11-9-20(7-8-20)21(23,24)25;16-10-7-11(20-8-9(10)13(23)24)22-5-1-12(21-22)25-6-4-14(2-3-14)15(17,18)19;7-10(8,9)6-4-2-1-3-5-6/h1-6,10,12-13H,7-9,11H2,(H,28,30);1,5,7-8H,2-4,6H2,(H,23,24);1-5H,(H2,7,8,9)
InChIKeyRPTTUXVOKSTYEO-UHFFFAOYSA-N
XLogP8.22
TPSA240.58 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001047.84
LogP ≤ 58.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (CID 160694023) is benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is NS(=O)(=O)c1ccccc1.O=C(NS(=O)(=O)c1ccccc1)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl.O=C(O)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl.
What is the InChIKey of benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is RPTTUXVOKSTYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O4S.C15H13ClF3N3O3.C6H7NO2S/c22-16-12-17(26-13-15(16)19(30)28-34(31,32)14-4-2-1-3-5-14)29-10-6-18(27-29)33-11-9-20(7-8-20)21(23,24)25;16-10-7-11(20-8-9(10)13(23)24)22-5-1-12(21-22)25-6-4-14(2-3-14)15(17,18)19;7-10(8,9)6-4-2-1-3-5-6/h1-6,10,12-13H,7-9,11H2,(H,28,30);1,5,7-8H,2-4,6H2,(H,23,24);1-5H,(H2,7,8,9).
What are the key properties of benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 1047.84 g/mol, XLogP of 8.22, 15 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide;N-(benzenesulfonyl)-4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 160694023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).